CID 177800472

Hex-1-yne-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H9FO2S
SMILES
CCCCC#CS(=O)(=O)F
InChI
InChI=1S/C6H9FO2S/c1-2-3-4-5-6-10(7,8)9/h2-4H2,1H3
InChIKey
ZMZHSPKXIHYYIQ-UHFFFAOYSA-N
Compound name
hex-1-yne-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.03073 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.038006 133.7
[M+Na]+ 187.019948 144.3
[M-H]- 163.023454 133.4
[M+NH4]+ 182.064553 153.1
[M+K]+ 202.993888 142.5
[M+H-H2O]+ 147.027990 122.9
[M+HCOO]- 209.028931 145.6
[M+CH3COO]- 223.044581 182.3
[M+Na-2H]- 185.005396 136.7
[M]+ 164.03018142 130.8
[M]- 164.03127858 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.